LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ...
Computer Physics Communications 271, 108171, 2022
5820 2022 Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials T Liang, TR Shan, YT Cheng, BD Devine, M Noordhoek, Y Li, Z Lu, ...
Materials Science and Engineering: R: Reports 74 (9), 255-279, 2013
310 2013 Charge-optimized many-body potential for the hafnium/hafnium oxide system TR Shan, BD Devine, TW Kemper, SB Sinnott, SR Phillpot
Physical Review B—Condensed Matter and Materials Physics 81 (12), 125328, 2010
201 2010 Second-generation charge-optimized many-body potential for TR Shan, BD Devine, JM Hawkins, A Asthagiri, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 82 (23), 235302, 2010
156 2010 Atomistic simulations of copper oxidation and Cu/Cu B Devine, TR Shan, YT Cheng, AJH McGaughey, M Lee, SR Phillpot, ...
Physical Review B—Condensed Matter and Materials Physics 84 (12), 125308, 2011
93 2011 Variable charge many-body interatomic potentials YK Shin, TR Shan, T Liang, MJ Noordhoek, SB Sinnott, ACT Van Duin, ...
MRS bulletin 37 (5), 504-512, 2012
75 2012 Molecular dynamics study of the adhesion of Cu/SiO TR Shan, BD Devine, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 83 (11), 115327, 2011
74 2011 Atomistic simulation of orientation dependence in shock-induced initiation of pentaerythritol tetranitrate TR Shan, RR Wixom, AE Mattsson, AP Thompson
The Journal of Physical Chemistry B 117 (3), 928-936, 2013
73 2013 Study of micro-droplet behavior for a piezoelectric inkjet printing device using a single pulse voltage pattern HC Wu, TR Shan, WS Hwang, HJ Lin
Materials transactions 45 (5), 1794-1801, 2004
56 2004 A charge optimized many-body (comb) potential for titanium and titania YT Cheng, TR Shan, T Liang, RK Behera, SR Phillpot, SB Sinnott
Journal of Physics: Condensed Matter 26 (31), 315007, 2014
48 2014 Shock-induced hotspot formation and chemical reaction initiation in PETN containing a spherical void TR Shan, AP Thompson
Journal of Physics: Conference Series 500 (17), 172009, 2014
45 2014 Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive TR Shan, RR Wixom, AP Thompson
Physical Review B 94 (5), 054308, 2016
44 2016 Reparameterization of the REBO-CHO potential for graphene oxide molecular dynamics simulations AF Fonseca, G Lee, TL Borders, H Zhang, TW Kemper, TR Shan, ...
Physical Review B—Condensed Matter and Materials Physics 84 (7), 075460, 2011
43 2011 Classical interatomic potential for orthorhombic uranium Y Li, TR Shan, T Liang, SB Sinnott, SR Phillpot
Journal of Physics: Condensed Matter 24 (23), 235403, 2012
41 2012 Development of a ReaxFF reactive force field for ammonium nitrate and application to shock compression and thermal decomposition TR Shan, ACT Van Duin, AP Thompson
The Journal of Physical Chemistry A 118 (8), 1469-1478, 2014
39 2014 Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials YT Cheng, TR Shan, B Devine, D Lee, T Liang, BB Hinojosa, SR Phillpot, ...
Surface science 606 (15-16), 1280-1288, 2012
37 2012 Charge-optimized many-body (COMB) potential for zirconium MJ Noordhoek, T Liang, Z Lu, TR Shan, SB Sinnott, SR Phillpot
Journal of nuclear materials 441 (1-3), 274-279, 2013
32 2013 Optimizing the performance of reactive molecular dynamics simulations for many-core architectures HM Aktulga, C Knight, P Coffman, KA O’Hearn, TR Shan, W Jiang
The International Journal of High Performance Computing Applications 33 (2 …, 2019
30 2019 The effects of operating parameters on micro-droplet formation in a piezoelectric inkjet printhead using a double pulse voltage pattern HJ Lin, HC Wu, TR Shan, WS Hwang
Materials transactions 47 (2), 375-382, 2006
19 2006 Modification of poly (methyl methacrylate) by keV Ar deposition YT Su, TR Shan, SB Sinnott
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2009
12 2009 
Aidan ThompsonSandia National LaboratoriesEmail verificata su sandia.gov
